(2R,4S,5R,6R)-2-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-4,5-Dihydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydro-2H-Pyran-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C18H28N3O16P |
IUPAC Name | (2r,4s,5r,6r)-2-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 573.399 g·mol−1 |
Heat of Formation | -3191.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.13 ± 1.08 D |
Volume | 587.78 Å 3 |
Surface Area | 440.23 Å 2 |
HOMO Energy | -9.78 ± 0.55 eV |
LUMO Energy | -0.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | SFLGTPJBQWRIMH-PSGWYZSOSA-L |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | P C H O N |